Theoretical Study on the Properties of Cationic, Amidoamine Oxide and Betaine Viscoelastic Diverting Surfactants in Gas Phase and Water Solution

2009 ◽  
Author(s):  
Abdullah S. Sultan ◽  
Perla B. Balbuena ◽  
Alfred Daniel Hill ◽  
Hisham A. Nasr-El-Din
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Water Solution

Theoretical Study on the Properties of Linear and Cyclic Amides in Gas Phase and Water Solution

2006 ◽  
Vol 110 (29) ◽  
pp. 9183-9193 ◽  
Author(s):  
S. Aparicio-Martínez ◽  
K. R. Hall ◽  
P. B. Balbuena
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Water Solution

Spectroscopic properties and solute–solvent structural analyses for ANR polypeptides in water solution: a sequential Monte Carlo/quantum mechanics (S-MC/QM) theoretical study

2018 ◽  
Vol 42 (24) ◽  
pp. 19692-19700 ◽  
Author(s):  
Richard Costa Prado ◽  
Guilherme Colherinhas ◽  
Leonardo Bruno Assis Oliveira
Keyword(s):  
Monte Carlo ◽  
Quantum Mechanics ◽  
Dft Calculations ◽  
Gas Phase ◽  
Sequential Monte Carlo ◽  
Theoretical Study ◽  
Water Solution ◽  
Spectroscopic Properties ◽  
Solvent Influence

We present a theoretical study of the solvent influence on ANR polypeptides, with N = 1, 2, 3, 4 and 5, in the gas phase and in water solution using the sequential MC/QM methodology combined with GIAO-DFT calculations.

Photoelectron Spectroscopy and Theoretical Study of AlnC5-/0 (n = 1-5) clusters: Structural Evolution, Relative Stability of Star-Like Cluster, and Planar Tetracoordinate Carbon Structure

2021 ◽  
Author(s):  
Chao-Jiang Zhang ◽  
Peng Wang ◽  
Xi-Ling Xu ◽  
Hong-Guang Xu ◽  
Weijun Zheng
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Relative Stability ◽  
Theoretical Study ◽  
Structural Evolution ◽  
Carbon Structure ◽  
Anion Photoelectron Spectroscopy

The AlnC5- (n = 1-5) clusters were detected in the gas-phase and were investigated by mass-selected anion photoelectron spectroscopy. The structures of AlnC5-/0 (n = 1-5) were explored by theoretical...

Theoretical study of the mechanisms for the homogenous gas-phase elimination kinetics of some 2-hydroxynitroalkanes

2006 ◽  
Vol 19 (12) ◽  
pp. 836-840 ◽  
Author(s):  
Rafael Añez ◽  
Rodolfo Izquierdo ◽  
Alba Vidal ◽  
Tania Cordova ◽  
Aníbal Sierraalta ◽  
...  
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Elimination Kinetics ◽  
Kinetics Of ◽  
Phase Elimination

Theoretical Study of the Gas-Phase Reactions of Iodine Atoms (2P3/2) with H2, H2O, HI, and OH

2010 ◽  
Vol 114 (34) ◽  
pp. 9270-9288 ◽  
Author(s):  
Sébastien Canneaux ◽  
Bertrand Xerri ◽  
Florent Louis ◽  
Laurent Cantrel
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Gas Phase Reactions

Prediction ofl-Methionine VCD Spectra in the Gas Phase and Water Solution

2013 ◽  
Vol 117 (46) ◽  
pp. 14202-14214 ◽  
Author(s):  
Joanna E. Rode ◽  
Jan Cz. Dobrowolski ◽  
Joanna Sadlej
Keyword(s):  
Gas Phase ◽  
Water Solution
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